Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM481859
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
29.6±n/a nM
Citation
 Chen, H; Shore, D; Villemure, E; Volgraf, M; Hu, B; Lu, A; Cridland, A; Ward, S; Beaumier, F; Dery, M; Larouche-Gauthier, R Oxadiazolones as transient receptor potential channel inhibitors US Patent  US10913742 Publication Date 2/9/2021 
Target
Name:
Transient receptor potential cation channel subfamily A member 1
Synonyms:
ANKTM1 | Ankyrin-like with transmembrane domains protein 1 | TRPA1 | TRPA1_HUMAN | Transformation-sensitive protein p120 | Transient receptor potential cation channel subfamily A member 1 (TRPA1)
Type:
Protein
Mol. Mass.:
127514.20
Organism:
Homo sapiens (Human)
Description:
O75762
Residue:
1119
Sequence:
MKRSLRKMWRPGEKKEPQGVVYEDVPDDTEDFKESLKVVFEGSAYGLQNFNKQKKLKRCDDMDTFFLHYAAAEGQIELMEKITRDSSLEVLHEMDDYGNTPLHCAVEKNQIESVKFLLSRGANPNLRNFNMMAPLHIAVQGMNNEVMKVLLEHRTIDVNLEGENGNTAVIIACTTNNSEALQILLKKGAKPCKSNKWGCFPIHQAAFSGSKECMEIILRFGEEHGYSRQLHINFMNNGKATPLHLAVQNGDLEMIKMCLDNGAQIDPVEKGRCTAIHFAATQGATEIVKLMISSYSGSVDIVNTTDGCHETMLHRASLFDHHELADYLISVGADINKIDSEGRSPLILATASASWNIVNLLLSKGAQVDIKDNFGRNFLHLTVQQPYGLKNLRPEFMQMQQIKELVMDEDNDGCTPLHYACRQGGPGSVNNLLGFNVSIHSKSKDKKSPLHFAASYGRINTCQRLLQDISDTRLLNEGDLHGMTPLHLAAKNGHDKVVQLLLKKGALFLSDHNGWTALHHASMGGYTQTMKVILDTNLKCTDRLDEDGNTALHFAAREGHAKAVALLLSHNADIVLNKQQASFLHLALHNKRKEVVLTIIRSKRWDECLKIFSHNSPGNKCPITEMIEYLPECMKVLLDFCMLHSTEDKSCRDYYIEYNFKYLQCPLEFTKKTPTQDVIYEPLTALNAMVQNNRIELLNHPVCKEYLLMKWLAYGFRAHMMNLGSYCLGLIPMTILVVNIKPGMAFNSTGIINETSDHSEILDTTNSYLIKTCMILVFLSSIFGYCKEAGQIFQQKRNYFMDISNVLEWIIYTTGIIFVLPLFVEIPAHLQWQCGAIAVYFYWMNFLLYLQRFENCGIFIVMLEVILKTLLRSTVVFIFLLLAFGLSFYILLNLQDPFSSPLLSIIQTFSMMLGDINYRESFLEPYLRNELAHPVLSFAQLVSFTIFVPIVLMNLLIGLAVGDIAEVQKHASLKRIAMQVELHTSLEKKLPLWFLRKVDQKSTIVYPNKPRSGGMLFHIFCFLFCTGEIRQEIPNADKSLEMEILKQKYRLKDLTFLLEKQHELIKLIIQKMEIISETEDDDSHCSFQDRFKKEQMEQRNSRWNTVLRAVKAKTHHLEP
  
Inhibitor
Name:
BDBM481859
Synonyms:
3-[3-(4-chlorophenyl)-3- fluoro-cyclobutyl]-5-[(5- methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)methyl]- 1,3,4-oxadiazol-2-one | US10913742, Example 104
Type:
Small organic molecule
Emp. Form.:
C21H17ClFN5O3
Mol. Mass.:
441.843
SMILES:
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wD:13.12,15.15,(-8.78,-2.78,;-8.78,-1.24,;-10.11,-.47,;-10.11,1.07,;-8.78,1.84,;-7.45,1.07,;-6.11,1.84,;-4.78,1.07,;-4.78,-.47,;-3.45,-1.24,;-2.11,-.47,;-.71,-1.1,;.33,.04,;1.86,-.12,;2.78,-1.35,;4.01,-.42,;4.79,.91,;3.09,.81,;5.54,-.63,;6.12,-2.06,;7.64,-2.27,;8.59,-1.06,;10.11,-1.27,;8.01,.37,;6.49,.58,;-.44,1.38,;.18,2.78,;-1.95,1.06,;-6.11,-1.24,;-6.11,-2.78,;-7.45,-.47,)|
Structure:
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